2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid

C17H30O5 — CID 70610820

IUPAC2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1[C@@H](CCC(O)CC2CCCCC2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C17H30O5/c18-12(8-11-4-2-1-3-5-11)6-7-13-14(9-17(21)22)16(20)10-15(13)19/h11-16,18-20H,1-10H2,(H,21,22)/t12?,13-,14-,15-,16+/m1/s1
InChIKeyHWIGVWDOMICBQI-ZOSGLXAKSA-N
MW314.42 g/mol
LogP1.93
Rot. Bonds7

About 2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid

2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid (PubChem CID 70610820) has the molecular formula C17H30O5 and a molecular weight of 314.42 g/mol. Its IUPAC name is 2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid
PubChem CID70610820
Molecular FormulaC17H30O5
Molecular Weight314.42 g/mol
Exact Mass314.21
IUPAC Name2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1[C@@H](CCC(O)CC2CCCCC2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C17H30O5/c18-12(8-11-4-2-1-3-5-11)6-7-13-14(9-17(21)22)16(20)10-15(13)19/h11-16,18-20H,1-10H2,(H,21,22)/t12?,13-,14-,15-,16+/m1/s1
InChIKeyHWIGVWDOMICBQI-ZOSGLXAKSA-N
XLogP1.93
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid with MolForge

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Related Compounds

(Z)-7-[(1R,2R,3S,4S)-3-(4-cyclopentyl-3-hydroxybutyl)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 70479446
(1R,2R,3R,6S)-2-[(3R)-4-cyclohexyl-3-hydroxybutyl]-3-hydroxy-6-methylbicyclo[4.2.0]octan-7-one
CID 18642719
2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid
CID 103159436
1-cycloheptyl-5-methylhexan-2-ol
CID 115783773
1,5-dicyclohexylpentan-3-ol
CID 56981010
(E)-7-[(1S,2R)-2-[(3R)-4-cyclohexyl-3-hydroxybutyl]-3,5-dioxocyclopentyl]hept-5-enoic acid
CID 166639908
7-cyclopentyl-6-hydroxyheptan-3-one
CID 103159212
potassium;2-cyclohexylacetic acid;hydride
CID 174261063
azane;2-cyclohexylacetic acid;iron
CID 67746719
6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid
CID 22985834
2-[2,4-bis(4-cyclohexyl-3,4-dihydroxybutyl)cyclopentyl]acetic acid
CID 70611379
1-cyclopentyl-4-(oxan-2-yl)butan-2-ol
CID 115789825

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid (CID 70610820) is 2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid is O=C(O)C[C@@H]1[C@@H](CCC(O)CC2CCCCC2)[C@H](O)C[C@@H]1O.
What is the InChIKey of 2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid?
The InChIKey is HWIGVWDOMICBQI-ZOSGLXAKSA-N. The full InChI is InChI=1S/C17H30O5/c18-12(8-11-4-2-1-3-5-11)6-7-13-14(9-17(21)22)16(20)10-15(13)19/h11-16,18-20H,1-10H2,(H,21,22)/t12?,13-,14-,15-,16+/m1/s1.
What are the key properties of 2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid?
2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid has a molecular weight of 314.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid is sourced from PubChem (CID 70610820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).